SCHEMBL73697

SCHEMBL73697

C[C@H](CC=O)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.53
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CYP2D6 P10635 1/20 0.45
CTSS P25774 4/20 0.43
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL75827 1.00 CTSK (0.53) CTSKCA1CA2CA7CYP2D6
SCHEMBL73696 1.00 CTSK (0.53) CTSKCA1CA2CA7CYP2D6
SCHEMBL3669710 0.84 CA1 (0.49) CTSKCA1CA2CA7CYP2D6
SCHEMBL7515863 0.84 CA1 (0.49) CTSKCA1CA2CA7CYP2D6
SCHEMBL27646611 0.84 CA1 (0.49) CTSKCA1CA2CA7CYP2D6
SCHEMBL19166265 0.84 CA1 (0.49) CTSKCA1CA2CA7CYP2D6
SCHEMBL3669714 0.84 CA1 (0.49) CTSKCA1CA2CA7CYP2D6
SCHEMBL17951340 0.84 CA1 (0.49) CTSKCA1CA2CA7CYP2D6
SCHEMBL18055004 0.84 CA1 (0.67) CTSKCA1CA2CA7CYP2D6
SCHEMBL31059713 0.84 CA1 (0.49) CTSKCA1CA2CA7CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250326767-A1 NOVEL BENZOTHIAZOLE DERIVATIVES CARNA BIOSCIENCES, INC. (JP) 2025-10-23 US disclosed
WO-2025111492-A1 INHIBITORS OF PARG 858 THERAPEUTICS, INC. (US) 2025-05-30 WO disclosed
CN-118638017-A Preparation method and application of chiral 4-aminopentanol 上海华默西医药科技有限公司 2024-09-13 CN disclosed
WO-2023008472-A1 NOVEL BENZOTHIAZOLE DERIVATIVE カルナバイオサイエンス株式会社 2023-02-02 WO disclosed
US-20210122747-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2021-04-29 US disclosed
US-10696672-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-06-30 US disclosed
US-20190322663-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2019-10-24 US disclosed
US-9346852-B2 Substituted adipic acid amides and uses thereof BRISTOL-MYERS SCUIBB COMPANY (US) 2016-05-24 US disclosed
US-9346852-B2 Substituted adipic acid amides and uses thereof BRISTOL-MYERS SCUIBB COMPANY (US) 2016-05-24 US disclosed
EP-2091926-B1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2015-10-21 EP disclosed
US-7626040-B2 Substituted imidazole compounds as KSP inhibitors NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
EP-2091926-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS Novartis AG (CH) 2009-08-26 EP disclosed
US-20080200462-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG 2008-08-21 US disclosed
US-20080200462-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG 2008-08-21 US disclosed
WO-2008063912-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2008-05-29 WO disclosed
WO-2008063912-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2008-05-29 WO disclosed
EP-1912972-A1 SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS Novartis AG (CH) 2008-04-23 EP disclosed
WO-2007021794-A1 SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2007-02-22 WO disclosed
US-20070037853-A1 N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition NOVARTIS VACCINES AND DIAGNOSTICS INC. 2007-02-15 US disclosed
US-20070037853-A1 N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition NOVARTIS VACCINES AND DIAGNOSTICS INC. 2007-02-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070037853-A1 N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition KIF5B, KIF2C, KIF18B CTSK 1985/4885CA1 4331/4885CA2 2598/4885
US-10696672-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 CTSK 3475/4885CA1 4132/4885CA2 3726/4885
US-20250326767-A1 NOVEL BENZOTHIAZOLE DERIVATIVES DYRK1A, DYRK4, DYRK2 CTSK 77/4885CA1 2991/4885CA2 411/4885
US-20210122747-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGAV CTSK 3260/4885CA1 4135/4885CA2 3726/4885
US-20080200462-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS CYP3A43, ABCG2, CYP3A7 CTSK 516/4885CA1 3975/4885CA2 3748/4885
US-20190322663-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 CTSK 3475/4885CA1 4132/4885CA2 3726/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.